>compound Aniline_Aniline
#instrument UPLC Q-Tof Premier, Waters
>formula C6H7N
#smiles Nc(c1)cccc1
#RECORD LC-ESI-QTOF_train_data/PR100107.txt;LC-ESI-QTOF_train_data/PR100108.txt
>charge 1
>ionization [M+H]+
>parentmass 94.06565

>collision 5-60
94.0349 11.77
94.0657 566.1

>collision 30
77.0347 2.134
78.4789 0.5782
94.0657 6.753

